🐍 Welcome to the SpectriPy package demo
- 🎯 show how R and Python MS data analysis methods can be combined in a single (interactive) workflow.
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🔀 combine R and Python code for:
- chromatographic peak detection of an untargeted LC-MS/MS data file
- extract and process MS2 spectra for detected chromatographic peaks
- download and process public reference MS2 data
- calculate similarity between experimental and reference MS2 spectra
📌 Reproducibility & Updates
We strive for reproducibility. This workflows is designed to remain stable over time, allowing you to run the vignette also in future.
- Major updates will be documented here.
- Minor updates can be found in the NEWS.md
🤝 Contribution
Interested in contributing? Please check out the RforMassSpectrometry Contributions Guide.
📜 Code of Conduct
We follow the RforMassSpectrometry Code of Conduct to maintain an inclusive and respectful community.